5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

C14H12N4O2S — CID 81088363

IUPAC5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)nc3)ncnc2s1
InChIInChI=1S/C14H12N4O2S/c1-8-4-10-12(17-7-18-13(10)21-8)16-6-9-2-3-11(14(19)20)15-5-9/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyRFVXHJSNABYBJH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.71
Rot. Bonds4

About 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid

5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81088363) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81088363
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(NCc3ccc(C(=O)O)nc3)ncnc2s1
InChIInChI=1S/C14H12N4O2S/c1-8-4-10-12(17-7-18-13(10)21-8)16-6-9-2-3-11(14(19)20)15-5-9/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyRFVXHJSNABYBJH-UHFFFAOYSA-N
XLogP2.71
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid (CID 81088363) is 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is Cc1cc2c(NCc3ccc(C(=O)O)nc3)ncnc2s1.
What is the InChIKey of 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RFVXHJSNABYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-8-4-10-12(17-7-18-13(10)21-8)16-6-9-2-3-11(14(19)20)15-5-9/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81088363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).